General Information of the Compound
| Compound ID |
CP0508691
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| Compound Name |
1-[[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol
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| Structure |
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| Formula |
C25H31Cl2N3O3
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| Molecular Weight |
492.447
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| Canonical SMILES |
CCOc1ccc(OCC(O)CN(C)Cc2c(C)nn(Cc3ccc(Cl)c(Cl)c3)c2C)cc1
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| InChI |
InChI=1S/C25H31Cl2N3O3/c1-5-32-21-7-9-22(10-8-21)33-16-20(31)14-29(4)15-23-17(2)28-30(18(23)3)13-19-6-11-24(26)25(27)12-19/h6-12,20,31H,5,13-16H2,1-4H3
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| InChIKey |
BYSUKBWJCOIBPG-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound